N-(8-cyano-4-oxidanylidene-7-phenyl-1H-pyrrolo[1,2-a]pyrimidin-2-yl)tetradecanamide

Systemtic Name: N-(8-cyano-4-oxidanylidene-7-phenyl-1H-pyrrolo[1,2-a]pyrimidin-2-yl)tetradecanamide Openeye Name: N-(8-cyano-4-oxo-7-phenyl-1H-pyrrolo[1,2-a]pyrimidin-2-yl)tetradecanamide CAS Name: N-(8-cyano-4-oxo-7-phenyl-1H-pyrrolo[1,2-a]pyrimidin-2-yl)tetradecanamide IUPAC Name: N-(8-cyano-4-oxo-7-phenyl-1H-pyrrolo[1,2-a]pyrimidin-2-yl)tetradecanamide Traditional Name: N-(8-cyano-4-keto-7-phenyl-1H-pyrrolo[1,2-a]pyrimidin-2-yl)myristamide Formula: C28H36N4O2 MolecularWeight: 460.61104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NC1=CC(=O)N2C=C(C(=C2N1)C#N)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NC1=CC(=O)N2C=C(C(=C2N1)C#N)C3=CC=CC=C3

InChI

InChI=1S/C28H36N4O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-26(33)30-25-19-27(34)32-21-24(22-16-13-12-14-17-22)23(20-29)28(32)31-25/h12-14,16-17,19,21,31H,2-11,15,18H2,1H3,(H,30,33)